SCHEMBL13258286

SCHEMBL13258286

Cc1ccc(Cn2c(S)nc3ccccc32)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.67
HTT P42858 4/20 0.63
LMNA P02545 3/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
MAPT P10636 2/20 0.63
TNF P01375 1/20 0.58
KDM4E B2RXH2 2/20 0.58
GALR3 O60755 2/20 0.57
NR2F2 P24468 2/20 0.57
RAB9A P51151 2/20 0.57
HTR3A P46098 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55
TSHR P16473 1/20 0.55
CYP2D6 P10635 2/20 0.55
HRH1 P35367 2/20 0.55
KCNH2 Q12809 2/20 0.55
ALDH1A1 P00352 3/20 0.54
ALOX5AP P20292 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5199559 0.87 TNF (0.65) TP53HTTLMNAMEN1KMT2A
SCHEMBL10353872 0.84 RAB9A (0.50) TP53HTTLMNAMEN1KMT2A
SCHEMBL9537915 0.84 RAB9A (0.65) TP53HTTLMNAMEN1KMT2A
SCHEMBL6833621 0.84 TNF (0.81) TP53HTTLMNAMEN1KMT2A
SCHEMBL10353544 0.84 SMN1; SMN2 (0.69) TP53HTTLMNASMN1; SMN2MAPT
SCHEMBL12116719 0.82 TP53 (0.53) TP53HTTLMNAMEN1KMT2A
SCHEMBL5581775 0.81 TP53 (0.91) TP53HTTLMNAMEN1KMT2A
SCHEMBL10353137 0.81 KMT2A (0.71) HTTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL10353246 0.80 TNF (0.52) TP53LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8366932 0.80 RAB9A (0.76) TP53HTTLMNAMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010096830-A2 METHOD TO TREAT PSORIASIS AND OTHER HYPERPROLIFERATIVE SKIN DISORDERS CORNELL UNIVERSITY (US) 2010-08-26 WO disclosed